Vitas-M small molecule compound
methyl 2-[({2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]phenyl}carbonyl)amino]benzoate
Catalog ID
STK315428
SMILES COC(=O)c1ccccc1NC(=O)c1ccccc1Cn1nc(c(c1C)[N+](=O)[O-])C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C21H20N4O5 MW 408.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4O5/c1-13-19(25(28)29)14(2)24(23-13)12-15-8-4-5-9-16(15)20(26)22-18-11-7-6-10-17(18)21(27)30-3/h4-11H,12H2,1-3H3,(H,22,26)InChIKey
HLWQXXIBCIWUGU-UHFFFAOYSA-NSynonyms
1005664-20-91005664209
CC1=C(C(=NN1CC2=CC=CC=C2C(=O)NC3=CC=CC=C3C(=O)OC)C)(N+)(=O)(O)
COC(=O)c1ccccc1NC(=O)c1ccccc1Cn1nc(c(c1C)(N+)(=O)(O))C
InChI=1SC21H20N4O5c11319(25(28)29)14(2)24(2313)1215845916(15)20(26)221811761017(18)21(27)303h411H12H213H3(H2226)
methyl2(((2((35dimethyl4nitro1Hpyrazol1yl)methyl)phenyl)carbonyl)amino)benzoate
methyl2((2((35dimethyl4nitropyrazol1yl)methyl)benzoyl)amino)benzoate
MFCD04060000
ZINC000002807415
ZINC02807415
ZINC2807415
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